3-(2H-oxazin-3-yl)propanoic acid

C7H9NO3 — CID 67799331

IUPAC3-(2H-oxazin-3-yl)propanoic acid
SMILESO=C(O)CCC1=CC=CON1
InChIInChI=1S/C7H9NO3/c9-7(10)4-3-6-2-1-5-11-8-6/h1-2,5,8H,3-4H2,(H,9,10)
InChIKeyIXRCDHFIKHNRJE-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.78
Rot. Bonds3

About 3-(2H-oxazin-3-yl)propanoic acid

3-(2H-oxazin-3-yl)propanoic acid (PubChem CID 67799331) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-(2H-oxazin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2H-oxazin-3-yl)propanoic acid
PubChem CID67799331
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-(2H-oxazin-3-yl)propanoic acid
SMILESO=C(O)CCC1=CC=CON1
InChIInChI=1S/C7H9NO3/c9-7(10)4-3-6-2-1-5-11-8-6/h1-2,5,8H,3-4H2,(H,9,10)
InChIKeyIXRCDHFIKHNRJE-UHFFFAOYSA-N
XLogP0.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-oxazin-3-yl)propanoic acid?
The IUPAC name of 3-(2H-oxazin-3-yl)propanoic acid (CID 67799331) is 3-(2H-oxazin-3-yl)propanoic acid.
What is the SMILES notation for 3-(2H-oxazin-3-yl)propanoic acid?
The canonical SMILES for 3-(2H-oxazin-3-yl)propanoic acid is O=C(O)CCC1=CC=CON1.
What is the InChIKey of 3-(2H-oxazin-3-yl)propanoic acid?
The InChIKey is IXRCDHFIKHNRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-7(10)4-3-6-2-1-5-11-8-6/h1-2,5,8H,3-4H2,(H,9,10).
What are the key properties of 3-(2H-oxazin-3-yl)propanoic acid?
3-(2H-oxazin-3-yl)propanoic acid has a molecular weight of 155.15 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-oxazin-3-yl)propanoic acid is sourced from PubChem (CID 67799331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).